3-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid
• 化学式: C₂₇H₂₁N₃O₃S
• 分子量: 467.5
• InChiKey: IGJULISOTZMWPM-MOSHPQCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER
  申请人：BOSTON BIOMEDICAL, INC.

  公开号：US20160031888A1

  公开（公告）日：2016-02-04

  The invention provides compounds of Formula I as inhibitors of cancer stem cells as well as cancer stem cell pathway kinase and other related kinases, pharmaceutical compositions and uses thereof in the treatment of cancer or a related disorder in a mammal, wherein i.a. R 2 is an optionally substituted heterocycle or optionally substituted aryl; and one of R 4 , R 5 , R 6 and R 7 is a substituted heterocycle or substituted aryl.

  本发明提供了I式化合物，作为癌症干细胞及癌症干细胞通路激酶和其他相关激酶的抑制剂，以及在哺乳动物的癌症或相关疾病治疗中的药物组成和用途，其中i.a. R2是可选取代的杂环或可选取代的芳基；而R4、R5、R6和R7中的一个是取代的杂环或取代的芳基。
• US20140275033A1
  申请人：——

  公开号：US20140275033A1

  公开（公告）日：2014-09-18
• US9187454B2
  申请人：——

  公开号：US9187454B2

  公开（公告）日：2015-11-17
• [EN] 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 3-(ARYL OU HÉTÉROARYL)MÉTHYLÈNEINDOLIN-2-ONE EN TANT QU'INHIBITEURS DE KINASES DE LA VOIE DES CELLULES SOUCHES CANCÉREUSES POUR LE TRAITEMENT DE CANCER
  申请人：BOSTON BIOMEDICAL INC

  公开号：WO2014160401A1

  公开（公告）日：2014-10-02

  The invention provides compounds of Formula I as inhibitors of cancer stem cells as well as cancer stem cell pathway kinase and other related kinases, pharmaceutical compositions and uses thereof in the treatment of cancer or a related disorder in a mammal, wherein i.a. R2 is an optionally substituted heterocycle or optionally substituted aryl; and one of R4, R5, R6and R7 is a substituted heterocycle or substituted aryl.